2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one

C16H32N2O — CID 112799921

IUPAC2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCCCCN(CC)C(C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H32N2O/c1-6-8-9-17(7-2)15(5)16(19)18-11-13(3)10-14(4)12-18/h13-15H,6-12H2,1-5H3
InChIKeyQISRPXWLPJUATC-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.00
Rot. Bonds6

About 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one

2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 112799921) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
PubChem CID112799921
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCCCCN(CC)C(C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H32N2O/c1-6-8-9-17(7-2)15(5)16(19)18-11-13(3)10-14(4)12-18/h13-15H,6-12H2,1-5H3
InChIKeyQISRPXWLPJUATC-UHFFFAOYSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one
CID 60516885
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
(2R)-2-chloro-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8000847
1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one
CID 170793149
(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide
CID 7393137
2-[3-aminopropyl(ethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 43137254
2-[[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049698
2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82041151
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010652
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
4-amino-1-(3,5-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 80542198

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one (CID 112799921) is 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one is CCCCN(CC)C(C)C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is QISRPXWLPJUATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-8-9-17(7-2)15(5)16(19)18-11-13(3)10-14(4)12-18/h13-15H,6-12H2,1-5H3.
What are the key properties of 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one?
2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 112799921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).